N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine

C17H17ClFNO — CID 102615167

IUPACN-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)c(COc2ccccc2CNC2CC2)c1
InChIInChI=1S/C17H17ClFNO/c18-16-8-5-14(19)9-13(16)11-21-17-4-2-1-3-12(17)10-20-15-6-7-15/h1-5,8-9,15,20H,6-7,10-11H2
InChIKeyIRDNBVRLFFGDOO-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.31
Rot. Bonds6

About N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine

N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine (PubChem CID 102615167) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
PubChem CID102615167
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC NameN-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
SMILESFc1ccc(Cl)c(COc2ccccc2CNC2CC2)c1
InChIInChI=1S/C17H17ClFNO/c18-16-8-5-14(19)9-13(16)11-21-17-4-2-1-3-12(17)10-20-15-6-7-15/h1-5,8-9,15,20H,6-7,10-11H2
InChIKeyIRDNBVRLFFGDOO-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
4-chloro-N-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102620151
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 4720065
N-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclooctanamine;hydrochloride
CID 17331493
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[2-(2-chloro-4-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 115504969
N-[[2-(2-ethylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314359
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 2950069
N-[[3-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62452095
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclopropanamine;hydrochloride
CID 17294375

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine (CID 102615167) is N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine is Fc1ccc(Cl)c(COc2ccccc2CNC2CC2)c1.
What is the InChIKey of N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
The InChIKey is IRDNBVRLFFGDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-16-8-5-14(19)9-13(16)11-21-17-4-2-1-3-12(17)10-20-15-6-7-15/h1-5,8-9,15,20H,6-7,10-11H2.
What are the key properties of N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine?
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine has a molecular weight of 305.78 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 102615167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).